4-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid

Base Information

• Chemical Name: 4-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 64299-26-9
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.2
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID80494302
• Wikidata: Q72440891
• Mol file: 64299-26-9.mol

Synonyms:4-AMINO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID;64299-26-9;4-AMINO-1-PHENYLPYRAZOLE-3-CARBOXYLIC ACID;1H-Pyrazole-3-carboxylicacid,4-amino-1-phenyl-(9CI);SCHEMBL20366997;DTXSID80494302;MFCD18809600;AKOS015998722;CS-W019737;DS-1814;FS-3521;AC-27123;FT-0738507;W17188;1H-Pyrazole-3-carboxylic acid, 4-amino-1-phenyl-;4-AMINO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLICACID

Chemical Property of 4-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Boiling Point: 415.432 °C at 760 mmHg
• Flash Point: 205.046 °C
• PSA: 81.14000
• Density: 1.417 g/cm³
• LogP: 1.73390
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.069476538
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-1-phenyl-1H-pyrazole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)N

Technology Process of 4-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid

There total 2 articles about 4-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 60.0%

4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylic acid (64299-23-6) → 4-amino-1-phenyl-1H-pyrazole-3-carboxylic acid (64299-26-9)

Guidance literature:

With phosphoric acid; at 100 ℃; for 0.75h;

DOI:10.1021/jm900718w

Reference yield:

→ 4-amino-1-phenyl-1H-pyrazole-3-carboxylic acid (64299-26-9)

Guidance literature:

4-Aminopyrazolcarbonsaeure 6;

DOI:10.1007/BF00912807

Reference yield: 30.0%

triethoxymethylbenzene (1663-61-2) + 4-amino-1-phenyl-1H-pyrazole-3-carboxylic acid (64299-26-9) → C17H12N4O (1190305-66-8)

Guidance literature:

With ammonium acetate; at 150 ℃; for 0.25h; Microwave irradiation;

DOI:10.1021/jm900718w

upstream raw materials:

4-amino-1-phenyl-1H-pyrazole-3,5-dicarboxylic acid

Downstream raw materials:

C₁₂H₁₀N₄O

2-phenyl-2,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one

C₁₇H₁₂N₄O

C₁₃H₁₂N₄O

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